Crystal structure analysis of [5-(4-meth-oxy-phen-yl)-2-methyl-2H-1,2,3-triazol-4-yl](thio-phen-2-yl)methanone.

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作者:Bhandary Subhrajyoti, Girish Yarabhally R, Venugopala Katharigatta N, Chopra Deepak
The title compound, C(15)H(13)N(3)O(2)S, crystallizes in the monoclinic space group P2(1)/n and its mol-ecular conformation is stabilized via intra-molecular C-H⋯O and C-H⋯N contacts. The supra-molecular structure is mainly governed by C-H⋯N hydrogen-bonded centrosymmetric dimers, C-H⋯O and C-H⋯S hydrogen bonds and S⋯π and π-π stacking inter-actions which, together, lead to the formation of a layered crystal packing. The inter-molecular inter-actions were further evaluated through the mol-ecular electrostatic potential map and Hirshfeld fingerprint analysis.

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